CHEMBL1765668


SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey NBLUMDFJQQALBR-DRODSASKSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 12
Rotatable bonds 29
Molecular weight (Da) 1209.6

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pKi 6.42 6.42 6.42 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 8.43 8.43 8.43 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 4.51 4.51 4.51 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.68 6.68 6.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database